2-(but-3-ynyl)-1-(pyridin-2-ylethynyl)isoquinolinium trifluoromethanesulfonate | 1229284-04-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 2-(but-3-ynyl)-1-(pyridin-2-ylethynyl)isoquinolinium trifluoromethanesulfonate
• CAS: 1229284-04-1
• 化学式: CF₃O₃S*C₂₀H₁₅N₂
• 分子量: 432.423
• InChiKey: RGFUCYZRXHOXQK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.0
• 重原子数：
  30.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  73.97
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(but-3-ynyl)-1-(pyridin-2-ylethynyl)isoquinolinium trifluoromethanesulfonate 、 pent-4-yn-1-yl trifluoromethanesulfonate 以 二氯甲烷 为溶剂， 反应 36.0h， 以82%的产率得到2-(but-3-ynyl)-1-((1-(pent-4-ynyl)pyridinium-2-yl)ethynyl)-isoquinolinium trifluoromethanesulfonate
  参考文献：
  名称：

  Highly modular assembly of cationic helical scaffolds: rapid synthesis of diverse helquats via differential quaternization

  摘要：

  A protocol for rapid and highly modular assembly of a diverse set of helquats is described. From a common bis-isoquinoline precursor, two successive distinct pyridine-type nitrogen quaternizations followed by rhodium-catalyzed [2+2+2] cycloaddition afford non-symmetric [7]helquats. This route allows for straightforward molecular editing of cationic helical skeletons as exemplified by the synthesis of 15 different [5]-, [6]-, and [7]helquats. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.03.007
• 作为产物：
  描述：

  but-3-yn-1-yl trifluoromethanesulfonate 、 1-(pyridin-2-ylethynyl)isoquinoline 以 甲苯 为溶剂， 反应 25.0h， 以49%的产率得到2-(but-3-ynyl)-1-(pyridin-2-ylethynyl)isoquinolinium trifluoromethanesulfonate
  参考文献：
  名称：

  Highly modular assembly of cationic helical scaffolds: rapid synthesis of diverse helquats via differential quaternization

  摘要：

  A protocol for rapid and highly modular assembly of a diverse set of helquats is described. From a common bis-isoquinoline precursor, two successive distinct pyridine-type nitrogen quaternizations followed by rhodium-catalyzed [2+2+2] cycloaddition afford non-symmetric [7]helquats. This route allows for straightforward molecular editing of cationic helical skeletons as exemplified by the synthesis of 15 different [5]-, [6]-, and [7]helquats. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.03.007